Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 9/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24409131 | 0.88 | HCRTR1 (0.36) | HCRTR1HCRTR2HCAR2CYP2C8CYP2C9 | |
| SCHEMBL30630767 | 0.88 | HCRTR1 (0.36) | HCRTR1HCRTR2HCAR2CYP2C8CYP2C9 | |
| SCHEMBL30630851 | 0.87 | HCRTR1 (0.35) | HCRTR1HCRTR2HCAR2CYP2C8CYP2C9 | |
| SCHEMBL24409132 | 0.87 | HCRTR1 (0.35) | HCRTR1HCRTR2HCAR2CYP2C8CYP2C9 | |
| SCHEMBL24409344 | 0.77 | CHRNA7 (0.30) | CHRNA7 | |
| SCHEMBL25248866 | 0.76 | HCAR2 (0.34) | HCAR2KDM5AKDM4CKDM5B | |
| SCHEMBL24409130 | 0.74 | NPC1 (0.36) | — | |
| SCHEMBL29972666 | 0.74 | NPC1 (0.36) | — | |
| SCHEMBL18611527 | 0.73 | GRIA1 (0.40) | HCRTR1HCRTR2HCAR2CYP2C8CYP2C9 | |
| SCHEMBL20168114 | 0.72 | CHRNA7 (0.52) | CHRNA7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3630752-A1 | SUBSTITUTED NITROGEN CONTAINING COMPOUNDS | Bristol-Myers Squibb Company (US) | 2020-04-08 | — | — | EP | disclosed |
| EP-3535258-A1 | SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS | Bristol-Myers Squibb Company (US) | 2019-09-11 | — | — | EP | disclosed |
| WO-2018222795-A1 | SUBSTITUTED NITROGEN CONTAINING COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-12-06 | — | — | WO | disclosed |
| WO-2018093569-A1 | SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-24 | — | — | WO | disclosed |